SCHEMBL22533249

SCHEMBL22533249

CCOc1cc[n+]([O-])c(C(=O)OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
PLK1 P53350 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 6/20 0.36
RECQL P46063 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29422786 1.00 NPC1 (0.43) NPC1RAB9AKDM4EKMT2ATDP1
SCHEMBL30261818 0.84 CA2 (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL17477642 0.84 CA2 (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL19174283 0.76 TDP1 (0.41) RAB9AKDM4EKMT2ATDP1POLB
SCHEMBL30142092 0.74 ABL1 (0.44) KDM4EKMT2AMEN1LMNACYP1A2
SCHEMBL21875429 0.74 NR4A2 (0.39) NPC1RAB9AKMT2AMEN1CYP1A2
SCHEMBL29799525 0.74 ALPL (0.38) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL17362576 0.74 ALPL (0.38) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL16505901 0.72 CFTR (0.49) KMT2APOLBMEN1LMNAALDH1A1
SCHEMBL30021484 0.72 CFTR (0.49) KMT2APOLBMEN1LMNAALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor OPNA IMMUNO-ONCOLOGY SA (CH) 2022-09-20 US disclosed
EP-3953351-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR Plexxikon Inc. (US) 2022-02-16 EP disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR Opna Bio SA (CH) 2021-10-14 US disclosed
WO-2020210366-A1 CONDENSED AZINES FOR EP300 OR CBP MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2020-10-15 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11446287-B2 Compounds and methods for EP300 or CBP modulation and indications therefor EP300, CREBBP, HDAC11 NPC1 1461/4885RAB9A 4528/4885KDM4E 442/4885
US-20210315872-A1 COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR EP300, CREBBP, HDAC11 NPC1 1410/4885RAB9A 4529/4885KDM4E 420/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.